4-[(2-methylpropan-2-yl)oxy]-2-[(3-nitropyridin-2-yl)sulfanylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-methylpropan-2-yl)oxy]-2-[(3-nitropyridin-2-yl)sulfanylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-tert-butoxy-2-[(3-nitro-2-pyridyl)sulfanylamino]-4-oxo-butanoic acid CAS Name: 4-[(2-methylpropan-2-yl)oxy]-2-[[(3-nitro-2-pyridinyl)thio]amino]-4-oxobutanoic acid IUPAC Name: 4-[(2-methylpropan-2-yl)oxy]-2-[(3-nitropyridin-2-yl)sulfanylamino]-4-oxobutanoic acid Traditional Name: 4-tert-butoxy-4-keto-2-[[(3-nitro-2-pyridyl)thio]amino]butyric acid Formula: C13H17N3O6S MolecularWeight: 343.35558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)O)NSC1=C(C=CC=N1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CC(C(=O)O)NSC1=C(C=CC=N1)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O6S/c1-13(2,3)22-10(17)7-8(12(18)19)15-23-11-9(16(20)21)5-4-6-14-11/h4-6,8,15H,7H2,1-3H3,(H,18,19)